Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.31 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.31 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.31 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.31 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4089141 | 0.93 | CYP1A1 (0.35) | VKORC1PDE5AEPHX2CYP1A1CYP1A2 | |
| SCHEMBL10354392 | 0.88 | KDM4E (0.32) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL16421378 | 0.83 | CYP1A1 (0.34) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL23278353 | 0.82 | MEN1 (0.31) | CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL26262096 | 0.82 | MAPT (0.35) | — | |
| SCHEMBL4084521 | 0.82 | ALOX5 (0.31) | — | |
| SCHEMBL18798596 | 0.81 | MEN1 (0.33) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL2515170 | 0.81 | ALOX5 (0.34) | CYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL18798576 | 0.81 | ALOX5 (0.34) | CYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL24425460 | 0.81 | MEN1 (0.30) | CYP2C19MEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9466800-B2 | Aromatic amine derivative, and organic electroluminescent element comprising the same | IDEMITSU KOSAN CO., LTD. (JP) | 2016-10-11 | — | — | US | disclosed |
| US-20160005976-A1 | AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2016-01-07 | — | — | US | disclosed |